Compounds

ALA5198484

Name:
(2R,4aR,5S,8aR)-5-(2-(4-carboxyphenyl)prop-1-en-1-yl)-7-methyl-2-(2-((4-(pyShow More⌵

Mol. Formula:
C36H35NO7

M.W.:
593.68

2 activity values

2 unique targets

Type:
---

AlogP:
7.45

Polar Surface Area:
123.02

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5206049

Name:
(R)-methyl 5-(4-acetylphenyl)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-3Show More⌵

Mol. Formula:
C32H25N3O4S

M.W.:
547.64

3 activity values

3 unique targets

Type:
---

AlogP:
4.22

Polar Surface Area:
82.66

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5204188

Name:
(R)-ethyl 5-(3-acetylphenyl)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-3,Show More⌵

Mol. Formula:
C33H27N3O4S

M.W.:
561.66

3 activity values

3 unique targets

Type:
---

AlogP:
4.61

Polar Surface Area:
82.66

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5203252

Name:
(S)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-N,5-diphenyl-3,5-dihydro-2HShow More⌵

Mol. Formula:
C35H26N4O2S

M.W.:
566.69

3 activity values

3 unique targets

Type:
---

AlogP:
5.49

Polar Surface Area:
68.39

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5199461

Name:
(S)-ethyl 5-(3-acetylphenyl)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-3,Show More⌵

Mol. Formula:
C33H27N3O4S

M.W.:
561.66

3 activity values

3 unique targets

Type:
---

AlogP:
4.61

Polar Surface Area:
82.66

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5207317

Name:
(2R,4aR,5S,8aR)-5-(2-(4-carboxycyclohexyl)prop-1-en-1-yl)-7-methyl-2-((R)-6Show More⌵

Mol. Formula:
C30H44O4

M.W.:
468.68

Type:
---

AlogP:
7.44

Polar Surface Area:
74.60

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5207007

Name:
(2S)-4-((4,9-dioxo-3a,4,9,9a-tetrahydronaphtho[2,3-d]thiazol-2-yl)amino)pheShow More⌵

Mol. Formula:
C24H23N3O6S2

M.W.:
513.60

12 activity values

12 unique targets

Type:
---

AlogP:
3.40

Polar Surface Area:
123.16

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5193844

Name:
Antimycin A

Mol. Formula:
C28H40N2O7

M.W.:
516.64

9 activity values

8 unique targets

Type:
---

AlogP:
4.03

Polar Surface Area:
138.87

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5183849

Name:
N-(3-((1H-1,2,4-triazol-3-yl)thio)-4-oxonaphthalen-1(4H)-ylidene)-4-methylbShow More⌵

Mol. Formula:
C19H14N4O3S2

M.W.:
410.48

3 activity values

3 unique targets

Type:
---

AlogP:
3.16

Polar Surface Area:
105.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5183108

Name:
(S)-methyl 5-(4-acetylphenyl)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-3Show More⌵

Mol. Formula:
C32H25N3O4S

M.W.:
547.64

3 activity values

3 unique targets

Type:
---

AlogP:
4.22

Polar Surface Area:
82.66

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5181865

Name:
(R)-2-((1-benzyl-1H-indol-3-yl)methylene)-3-oxo-N,5-diphenyl-3,5-dihydro-2HShow More⌵

Mol. Formula:
C35H26N4O2S

M.W.:
566.69

3 activity values

3 unique targets

Type:
---

AlogP:
5.49

Polar Surface Area:
68.39

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4589399

Name:
(Z)-2-hydroxy-6-(tridec-8-en-1-yl)benzoic acid

Mol. Formula:
C20H30O3

M.W.:
318.46

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4589356

Name:
Khookerianic acid B

Mol. Formula:
C18H26O3

M.W.:
290.40

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4586537

Name:
Khookerianic acid C

Mol. Formula:
C21H26O3

M.W.:
326.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4558011

Name:
Khookerianone B

Mol. Formula:
C19H28O3

M.W.:
304.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4551810

Name:
Khookerianone C

Mol. Formula:
C21H32O3

M.W.:
332.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS